SCHEMBL9026097

SCHEMBL9026097

CCCCOC(C)Oc1ccnc(CSc2nc3ccccc3[nH]2)c1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.60
CYP2C9 P11712 4/20 0.60
NPC1 O15118 3/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2D6 P10635 2/20 0.60
CYP2C19 P33261 2/20 0.60
CYP3A4 P08684 1/20 0.60
KMT2A Q03164 6/20 0.49
MAPT P10636 4/20 0.49
MEN1 O00255 4/20 0.49
HTT P42858 3/20 0.49
GALR3 O60755 1/20 0.49
STAT3 P40763 1/20 0.49
LMNA P02545 4/20 0.45
PTGS2 P35354 1/20 0.45
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
AR P10275 3/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9025246 0.91 RAB9A (0.64) RAB9ACYP2C9NPC1CYP1A2CYP2D6
SCHEMBL2986625 0.88 RAB9A (0.72) RAB9ACYP2C9NPC1CYP1A2CYP2D6
SCHEMBL9026197 0.88 CYP1A2 (0.46) RAB9ACYP2C9NPC1CYP1A2CYP2D6
SCHEMBL9027032 0.88 BRS3 (0.47) RAB9ACYP2C9NPC1CYP1A2CYP2D6
SCHEMBL9025905 0.88 CYP1A2 (0.46) RAB9ACYP2C9NPC1CYP1A2CYP2D6
SCHEMBL9025986 0.85 CYP1A2 (0.52) RAB9ACYP2C9NPC1CYP1A2CYP2D6
SCHEMBL2983653 0.85 RAB9A (0.71) RAB9ACYP2C9NPC1CYP1A2CYP2D6
SCHEMBL2983674 0.84 RAB9A (0.70) RAB9ACYP2C9NPC1CYP1A2CYP2D6
SCHEMBL2992805 0.84 RAB9A (0.70) RAB9ACYP2C9NPC1CYP1A2CYP2D6
SCHEMBL2986536 0.84 RAB9A (0.70) RAB9ACYP2C9NPC1CYP1A2CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0295603-B1 Benzimidazol derivatives and therapeutic agent for ulcer comprising the same EISAI CO LTD (JP) 1996-09-18 EP disclosed
EP-0295603-A1 Benzimidazol derivatives and therapeutic agent for ulcer comprising the same Eisai Co., Ltd. (JP) 1988-12-21 EP disclosed